4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H26N2OS — CID 114177342

IUPAC4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(NC2=NC(C(C)(C)C)CCS2)CCO1
InChIInChI=1S/C14H26N2OS/c1-10-9-11(5-7-17-10)15-13-16-12(6-8-18-13)14(2,3)4/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyWRQVRZFZWAZCGE-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.05
Rot. Bonds1

About 4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 114177342) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID114177342
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(NC2=NC(C(C)(C)C)CCS2)CCO1
InChIInChI=1S/C14H26N2OS/c1-10-9-11(5-7-17-10)15-13-16-12(6-8-18-13)14(2,3)4/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyWRQVRZFZWAZCGE-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 114177342) is 4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CC(NC2=NC(C(C)(C)C)CCS2)CCO1.
What is the InChIKey of 4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WRQVRZFZWAZCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-10-9-11(5-7-17-10)15-13-16-12(6-8-18-13)14(2,3)4/h10-12H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 270.44 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 114177342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).